SCHEMBL1132906

SCHEMBL1132906

CN[C@@H](CO)CNC[C@@H](C)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.38
AGTR1 P30556 1/20 0.38
CYP1A2 P05177 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SLC6A4 P31645 2/20 0.36
CYP3A4 P08684 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1132790 0.81 CYP2D6 (0.44) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL1132788 0.81 CYP2D6 (0.44) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL10245032 0.77 CA1 (0.42) CYP2D6CYP2C19MTNR1AMTNR1BCA1
SCHEMBL15328772 0.76 AGTR1 (0.50) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL15328802 0.76 AGTR1 (0.50) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL1132330 0.74 AGTR1 (0.35) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL1132334 0.74 AGTR1 (0.35) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL1132907 0.73 CYP2D6 (0.39) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL14018886 0.72 CYP2D6 (0.55) CYP2D6CYP2C19LMNAAGTR1CYP1A2
SCHEMBL1132428 0.71 CYP2D6 (0.38) CYP2D6CYP2C19LMNAAGTR1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 CYP2D6 1907/4885CYP2C19 1409/4885LMNA 1555/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.